CID 14153243

104142-66-7

Structural Information

Molecular Formula

C₅H₄Cl₂O₃

SMILES

C=C(COC(=O)C(=O)Cl)Cl

InChI

InChI=1S/C5H4Cl2O3/c1-3(6)2-10-5(9)4(7)8/h1-2H2

InChIKey

DROVKFBGHINOBG-UHFFFAOYSA-N

Compound name

2-chloroprop-2-enyl 2-chloro-2-oxoacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 181.95375 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	182.96103	127.9
[M+Na]+	204.94297	137.1
[M-H]-	180.94647	128.3
[M+NH4]+	199.98757	149.0
[M+K]+	220.91691	134.1
[M+H-H2O]+	164.95101	125.9
[M+HCOO]-	226.95195	141.2
[M+CH3COO]-	240.96760	178.0
[M+Na-2H]-	202.92842	131.2
[M]+	181.95320	132.0
[M]-	181.95430	132.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe